N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide

C17H24F2N2O — CID 143013041

IUPACN-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide
SMILESCC(Cc1ccccc1)[C@@H](C)CNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C17H24F2N2O/c1-13(10-15-6-4-3-5-7-15)14(2)11-20-16(22)21-9-8-17(18,19)12-21/h3-7,13-14H,8-12H2,1-2H3,(H,20,22)/t13?,14-/m0/s1
InChIKeyQENTZMLQWIONOE-KZUDCZAMSA-N
MW310.39 g/mol
LogP3.55
Rot. Bonds5

About N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide

N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 143013041) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide
PubChem CID143013041
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide
SMILESCC(Cc1ccccc1)[C@@H](C)CNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C17H24F2N2O/c1-13(10-15-6-4-3-5-7-15)14(2)11-20-16(22)21-9-8-17(18,19)12-21/h3-7,13-14H,8-12H2,1-2H3,(H,20,22)/t13?,14-/m0/s1
InChIKeyQENTZMLQWIONOE-KZUDCZAMSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 73333
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CID 73334
CID 31899116
CID 31899116
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CID 6469905
3,3-Dimethyl-1-(2-phenylethyl)urea
CID 12441924
Pyrrolidine-1-carboxylic acid [1-(3-isopropenyl-phenyl)-1-methyl-ethyl]-amide
CID 773391
(S)-4-(2,5-difluorophenyl)-2-(3-(ethylamino)propyl)-N,N-dimethyl-2-phenyl-2H-pyrrole-1(5H)-carboxamide
CID 44430573
(S)-4-(2,5-difluorophenyl)-2-(3-(2-fluoroethylamino)propyl)-N,N-dimethyl-2-phenyl-2H-pyrrole-1(5H)-carboxamide
CID 44430574
(S)-2-(3-(2,2-difluoroethylamino)propyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2H-pyrrole-1(5H)-carboxamide
CID 44430575
(S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2-(3-(2,2,2-trifluoroethylamino)propyl)-2H-pyrrole-1(5H)-carboxamide
CID 44430576
(3aR,6aR)-N-propan-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 44560384
Amperozide Dihydrochloride
CID 70682892

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide?
The IUPAC name of N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide (CID 143013041) is N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide is CC(Cc1ccccc1)[C@@H](C)CNC(=O)N1CCC(F)(F)C1.
What is the InChIKey of N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide?
The InChIKey is QENTZMLQWIONOE-KZUDCZAMSA-N. The full InChI is InChI=1S/C17H24F2N2O/c1-13(10-15-6-4-3-5-7-15)14(2)11-20-16(22)21-9-8-17(18,19)12-21/h3-7,13-14H,8-12H2,1-2H3,(H,20,22)/t13?,14-/m0/s1.
What are the key properties of N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide?
N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dimethyl-4-phenylbutyl]-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 143013041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).